6-(Adamantan-1-yl)-3-(3-fluoro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole

The title mol­ecule, C(19)H(19)FN(4)S, displays C (s) mol­ecular symmetry, in which the crystallographic mirror plane bis­ects the adamantan-1-yl unit while the 3-fluoro­phenyl triazole ring is located on the mirror plane. The F atom of the 3-fluoro­phenyl ring is positionally disordered [occupancy...

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Autores principales: Khan, Mahmood-ul-Hassan, Hameed, Shahid, Akhtar, Tashfeen, Stoeckli-Evans, Helen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011398/
https://www.ncbi.nlm.nih.gov/pubmed/21589508
http://dx.doi.org/10.1107/S1600536810046428
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author Khan, Mahmood-ul-Hassan
Hameed, Shahid
Akhtar, Tashfeen
Stoeckli-Evans, Helen
author_facet Khan, Mahmood-ul-Hassan
Hameed, Shahid
Akhtar, Tashfeen
Stoeckli-Evans, Helen
author_sort Khan, Mahmood-ul-Hassan
collection PubMed
description The title mol­ecule, C(19)H(19)FN(4)S, displays C (s) mol­ecular symmetry, in which the crystallographic mirror plane bis­ects the adamantan-1-yl unit while the 3-fluoro­phenyl triazole ring is located on the mirror plane. The F atom of the 3-fluoro­phenyl ring is positionally disordered [occupancy ratio 0.9:0.1]. In the crystal, π–π inter­actions between the triazole and phenyl rings occur [centroid–centroid distance = 3.5849 (7) Å] and weak C—H⋯F inter­actions form a ribbon propagating in [010].
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spelling pubmed-30113982010-12-30 6-(Adamantan-1-yl)-3-(3-fluoro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole Khan, Mahmood-ul-Hassan Hameed, Shahid Akhtar, Tashfeen Stoeckli-Evans, Helen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(19)H(19)FN(4)S, displays C (s) mol­ecular symmetry, in which the crystallographic mirror plane bis­ects the adamantan-1-yl unit while the 3-fluoro­phenyl triazole ring is located on the mirror plane. The F atom of the 3-fluoro­phenyl ring is positionally disordered [occupancy ratio 0.9:0.1]. In the crystal, π–π inter­actions between the triazole and phenyl rings occur [centroid–centroid distance = 3.5849 (7) Å] and weak C—H⋯F inter­actions form a ribbon propagating in [010]. International Union of Crystallography 2010-11-17 /pmc/articles/PMC3011398/ /pubmed/21589508 http://dx.doi.org/10.1107/S1600536810046428 Text en © Khan et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Khan, Mahmood-ul-Hassan
Hameed, Shahid
Akhtar, Tashfeen
Stoeckli-Evans, Helen
6-(Adamantan-1-yl)-3-(3-fluoro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title 6-(Adamantan-1-yl)-3-(3-fluoro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_full 6-(Adamantan-1-yl)-3-(3-fluoro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_fullStr 6-(Adamantan-1-yl)-3-(3-fluoro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_full_unstemmed 6-(Adamantan-1-yl)-3-(3-fluoro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_short 6-(Adamantan-1-yl)-3-(3-fluoro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_sort 6-(adamantan-1-yl)-3-(3-fluoro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011398/
https://www.ncbi.nlm.nih.gov/pubmed/21589508
http://dx.doi.org/10.1107/S1600536810046428
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AT akhtartashfeen 6adamantan1yl33fluorophenyl124triazolo34b134thiadiazole
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